N-(3-acetamido-4-methoxy-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(3-acetamido-4-methoxy-phenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-acetamido-4-methoxy-phenyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-acetamido-4-methoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-acetamido-4-methoxyphenyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-acetamido-4-methoxy-phenyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C

InChI

InChI=1S/C22H25N5O4S/c1-4-31-17-8-5-15(6-9-17)21-25-26-22(32)27(21)12-11-20(29)24-16-7-10-19(30-3)18(13-16)23-14(2)28/h5-10,13H,4,11-12H2,1-3H3,(H,23,28)(H,24,29)(H,26,32)